Comparison between a quantum annealer and a classical approximation algorithm for computing the ground state of an Ising spin glass.

Finding the ground state of an Ising spin glass on general graphs belongs to the class of NP-hard problems, widely believed to have no efficient polynomial-time algorithms to solve them. An approach developed in computer science for dealing with such problems is to devise approximation algorithms; these are algorithms, whose run time scales polynomially with the input size, that provide solutions with provable guarantees on their quality in terms of the optimal unknown solution. Recently, several algorithms for the Ising spin-glass problem on a bounded degree graph that provide different approximation guarantees were introduced. D-Wave, a Canadian-based company, has constructed a physical realization of a quantum annealer and has enabled researchers and practitioners to access it via their cloud service. D-Wave is particularly suited for computing an approximation for the ground state of an Ising spin glass on its Chimera and Pegasus graphs-both with a bounded degree. To assess the quality of D-Wave's solution, it is natural to compare it to classical approximation algorithms specifically designed to solve the same problem. In this work, we compare the performance of a recently developed approximation algorithm to solve the Ising spin-glass problem on graphs of bounded degree against the performance of the D-Wave computer. We also compared the performance of D-Wave's computer in the Chimera architecture against the performance of a heuristic tailored specifically to handle the Chimera graph. We found that the D-Wave computer was able to find better approximations for all the random instances of the problem we studied-Gaussian weights, uniform weights, and discrete binary weights. Furthermore, the convergence times of D-Wave's computer were also significantly better. These results indicate the merit of D-Wave's computer under certain specific instances. More broadly, our method is relevant to a wider class of performance comparison studies, and we suggest that it is important to compare the performance of quantum computers not only against exact classical algorithms with exponential run-time scaling, but also against approximation algorithms with polynomial run-time scaling and a provable guarantee of performance.

A Biclique Approach to Reference-Anchored Gene Blocks and Its Applications to Genomic Islands.

We formalize a new problem variant in gene-block discovery, denoted Reference-Anchored Gene Blocks (RAGB), given a query sequence Q of length n, representing the gene array of a DNA element, a window size bound d on the length of a substring of interest in Q, and a set of target gene sequences [Formula: see text]. Our objective is to identify gene blocks in [Formula: see text] that are centered in a subset q of co-localized genes from Q, and contain genomes from [Formula: see text] in which the corresponding orthologs of the genes from q are also co-localized. We cast RAGB as a variant of a (colored) biclique problem in bipartite graphs, and analyze its parameterized complexity, as well as the parameterized complexity of other related problems. We give an [Formula: see text] time algorithm for the uncolored variant of our biclique problem, where m is the number of areas of interest that are parsed from the target sequences, and n and d are as defined earlier. Our algorithm can be adapted to compute all maximal bicliques in the graph within the same time complexity, and to handle edge weights with a slight [Formula: see text] increase to its time complexity. For the colored version of the problem, our algorithm has a time complexity of [Formula: see text]. We implement the algorithm and exemplify its application to the data mining of proteobacterial gene blocks that are centered in predicted proteobacterial genomic islands, leading to the identification of putatively mobilized clusters of virulence, pathogenicity, and resistance genes.

Haplotype inference constrained by plausible haplotype data.

The haplotype inference problem (HIP) asks to find a set of haplotypes which resolve a given set of genotypes. This problem is important in practical fields such as the investigation of diseases or other types of genetic mutations. In order to find the haplotypes which are as close as possible to the real set of haplotypes that comprise the genotypes, two models have been suggested which are by now well-studied: The perfect phylogeny model and the pure parsimony model. All known algorithms up till now for haplotype inference may find haplotypes that are not necessarily plausible, i.e., very rare haplotypes or haplotypes that were never observed in the population. In order to overcome this disadvantage, we study in this paper, a new constrained version of HIP under the above-mentioned models. In this new version, a pool of plausible haplotypes H is given together with the set of genotypes G, and the goal is to find a subset H ⊆ H that resolves G. For constrained perfect phlogeny haplotyping (CPPH), we provide initial insights and polynomial-time algorithms for some restricted cases of the problem. For constrained parsimony haplotyping (CPH), we show that the problem is fixed parameter tractable when parameterized by the size of the solution set of haplotypes.

Locality and gaps in RNA comparison.

Locality is an important and well-studied notion in comparative analysis of biological sequences. Similarly, taking into account affine gap penalties when calculating biological sequence alignments is a well-accepted technique for obtaining better alignments. When dealing with RNA, one has to take into consideration not only sequential features, but also structural features of the inspected molecule. This makes the computation more challenging, and usually prohibits the comparison only to small RNAs. In this paper we introduce two local metrics for comparing RNAs that extend the Smith-Waterman metric and its normalized version used for string comparison. We also present a global RNA alignment algorithm which handles affine gap penalties. Our global algorithm runs in O(m(2)n(1 + lg n/m)) time, while our local algorithms run in O(m(2)n(1 + lg n/m)) and O(n(2)m) time, respectively, where m

Gene maps linearization using genomic rearrangement distances.

A preliminary step to most comparative genomics studies is the annotation of chromosomes as ordered sequences of genes. Different genetic mapping techniques often give rise to different maps with unequal gene content and sets of unordered neighboring genes. Only partial orders can thus be obtained from combining such maps. However, once a total order O is known for a given genome, it can be used as a reference to order genes of a closely related species characterized by a partial order P. Our goal is to find a linearization of P that is as close as possible to O, in term of a given genomic distance. We first prove NP-completeness complexity results considering the breakpoint and the common interval distances. We then focus on the breakpoint distance and give a dynamic programming algorithm whose running time is exponential for general partial orders, but polynomial when the partial order is derived from a bounded number of genetic maps. A time-efficient greedy heuristic is then given for the general case and is empirically shown to produce solutions within 10% of the optimal solution, on simulated data. Applications to the analysis of grass genomes are presented.